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200 积分
2023-10-13 加入
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Electrochemical dissolution of surface alloys in acids: Thermodynamic trends from first-principles calculations
1小时前
已完结
Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts
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Self‐Validated Machine Learning Study of Graphdiyne‐Based Dual Atomic Catalyst
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Screening of Single-Atom Catalysts for CO2 Electroreduction to CH4 by DFT Calculations and Machine Learning
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Machine-Learning assisted screening of double metal catalysts for CO2 electroreduction to CH4
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Advancing CO2RR with O-Coordinated Single-Atom Nanozymes: A DFT and Machine Learning Exploration
2个月前
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Electroreduction of nitrate to ammonia on graphyne-based single-atom catalysts by combined density functional theory and machine learning study
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Exploring the anchoring effect and catalytic mechanism of 3d transition metal phthalocyanine for S8/LiPSs: A density functional theory study
3个月前
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Size‐adjustable High‐Entropy Alloy Nanoparticles as an Efficient Platform for Electrocatalysis
3个月前
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Microstructures and properties of high-entropy alloys
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